38 citations · 207 across the 18 of their papers we have counts for
3 papers · 1 filter
Optimal parallelisation strategies for flat histogram Monte Carlo sampling
Hubert J. Naguszewski, Christopher D. Woodgate, David Quigley
Flat histogram methods, such as Wang--Landau sampling, provide a means for high-throughput calculation of phase diagrams of atomistic/lattice model systems. Many parallelisation sc…
BraWl: Simulating the thermodynamics and phase stability of multicomponent alloys using conventional and enhanced sampling techniques
Hubert J. Naguszewski, Livia B. Pártay, David Quigley +1
We present BraWl, a Fortran package implementing a range of conventional and enhanced sampling algorithms for exploration of the phase space of the Bragg-Williams model, facilitati…
Eat, Sleep, Code, Repeat: Tips for Early-Career Researchers in Computational Science
Idil Ismail, Shayantan Chaudhuri, Dylan Morgan +5
This article is intended as a guide for new graduate students in the field of computational science. With the increasing influx of students from diverse backgrounds joining the eve…